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Automated discovery of a robust interatomic potential for aluminum.
Smith JS, Nebgen B, Mathew N, Chen J, Lubbers N, Burakovsky L, Tretiak S, Nam HA, Germann T, Fensin S, Barros K. Smith JS, et al. Among authors: tretiak s. Nat Commun. 2021 Feb 23;12(1):1257. doi: 10.1038/s41467-021-21376-0. Nat Commun. 2021. PMID: 33623036 Free PMC article.
Scaling law for excitons in 2D perovskite quantum wells.
Blancon JC, Stier AV, Tsai H, Nie W, Stoumpos CC, Traoré B, Pedesseau L, Kepenekian M, Katsutani F, Noe GT, Kono J, Tretiak S, Crooker SA, Katan C, Kanatzidis MG, Crochet JJ, Even J, Mohite AD. Blancon JC, et al. Among authors: tretiak s. Nat Commun. 2018 Jun 8;9(1):2254. doi: 10.1038/s41467-018-04659-x. Nat Commun. 2018. PMID: 29884900 Free PMC article.
Coherent exciton-vibrational dynamics and energy transfer in conjugated organics.
Nelson TR, Ondarse-Alvarez D, Oldani N, Rodriguez-Hernandez B, Alfonso-Hernandez L, Galindo JF, Kleiman VD, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nelson TR, et al. Among authors: tretiak s. Nat Commun. 2018 Jun 13;9(1):2316. doi: 10.1038/s41467-018-04694-8. Nat Commun. 2018. PMID: 29899334 Free PMC article.
Discovering a Transferable Charge Assignment Model Using Machine Learning.
Sifain AE, Lubbers N, Nebgen BT, Smith JS, Lokhov AY, Isayev O, Roitberg AE, Barros K, Tretiak S. Sifain AE, et al. Among authors: tretiak s. J Phys Chem Lett. 2018 Aug 16;9(16):4495-4501. doi: 10.1021/acs.jpclett.8b01939. Epub 2018 Jul 27. J Phys Chem Lett. 2018. PMID: 30039707
Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks.
Nebgen B, Lubbers N, Smith JS, Sifain AE, Lokhov A, Isayev O, Roitberg AE, Barros K, Tretiak S. Nebgen B, et al. Among authors: tretiak s. J Chem Theory Comput. 2018 Sep 11;14(9):4687-4698. doi: 10.1021/acs.jctc.8b00524. Epub 2018 Aug 17. J Chem Theory Comput. 2018. PMID: 30064217
284 results